4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester

Modify Date: 2024-04-04 21:50:33

4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester Structure
4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester structure
Common Name 4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester
CAS Number 86818-32-8 Molecular Weight 315.75100
Density 1.29g/cm3 Boiling Point 444.9ºC at 760 mmHg
Molecular Formula C17H14ClNO3 Melting Point N/A
MSDS N/A Flash Point 222.8ºC

 Names

Name methyl 2-[4-(6-chloro-2H-1,4-benzoxazin-3-yl)phenyl]acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.29g/cm3
Boiling Point 444.9ºC at 760 mmHg
Molecular Formula C17H14ClNO3
Molecular Weight 315.75100
Flash Point 222.8ºC
Exact Mass 315.06600
PSA 47.89000
LogP 3.00430
Index of Refraction 1.607

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1576205
CHEMICAL NAME :
Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester
CAS REGISTRY NUMBER :
86818-32-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H14-Cl-N-O3
MOLECULAR WEIGHT :
315.77

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Kidney, Ureter, Bladder - urine volume increased
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 22,297,1983

 Synthetic Route

~49%

4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester Structure

4-(6-Chloro-2H-...

CAS#:86818-32-8

Literature: Shridhar, D. R.; Sastry, C. V. Reddy; Bansal, O. P.; Rao, P. Pulla Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 297 - 299

 Synonyms

Methyl 4-(6-chloro-2H-1,4-benzoxazine-3-yl)phenylacetate
4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester
Benzeneacetic acid,4-(6-chloro-2H-1,4-benzoxazin-3-yl)-,methyl ester